SCHEMBL30829142

SCHEMBL30829142

CS(=O)(=O)O.NC(=O)N1CCCc2ccccc21

nearest known ligand 0.63

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.62
HSD17B10 Q99714 1/20 0.57
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
TSHR P16473 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SIGMAR1 Q99720 1/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 1/20 0.54
POLB P06746 3/20 0.53
RECQL P46063 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
KDM4E B2RXH2 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30829143 1.00 NOTUM (0.63) NOTUMSMN1; SMN2HSD17B10CA1CA2
SCHEMBL3120560 0.91 SMN1; SMN2 (0.74) NOTUMSMN1; SMN2HSD17B10TSHRMEN1
SCHEMBL29640094 0.91 SMN1; SMN2 (0.74) NOTUMSMN1; SMN2HSD17B10TSHRMEN1
SCHEMBL4865076 0.86 SMN1; SMN2 (0.67) NOTUMSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL29443491 0.81 NOTUM (0.68) NOTUMSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL43169 0.81 NOTUM (0.68) NOTUMSMN1; SMN2TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL29858239 0.79 NOTUM (0.66) NOTUMSMN1; SMN2TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL5573069 0.79 NOTUM (0.66) NOTUMSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL29510859 0.78 NOTUM (1.00) NOTUMSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL709869 0.78 NOTUM (1.00) NOTUMSMN1; SMN2TSHRMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122070274-A N- (3-fluorophenyl) -6- (6, 7-dimethoxy quinoline-4-oxy) -3, 4-dihydro quinoline-1 (2H) -formamide mesylate crystal form and preparation method thereof 上海懿峰生物科技有限公司 2026-05-19 CN disclosed
CN-117700358-B N- (3-fluorophenyl) -6- (6, 7-dimethoxy quinoline-4-oxy) -3, 4-dihydro quinoline-1 (2H) -formamide mesylate crystal form and preparation method thereof 上海懿峰生物科技有限公司 2026-03-17 CN disclosed
CN-117700358-A N- (3-fluorophenyl) -6- (6, 7-dimethoxy quinoline-4-oxy) -3, 4-dihydro quinoline-1 (2H) -formamide mesylate crystal form and preparation method thereof 上海懿峰生物科技有限公司 2024-03-15 CN disclosed