SCHEMBL25140419

SCHEMBL25140419

COc1ccc(NN)cc1COC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ ALDH1A1 P00352 8/20 0.43
▸ MAPT P10636 4/20 0.43
▸ TSHR P16473 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HPGD P15428 4/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ RECQL P46063 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL24728848 0.81 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1MAPTTSHRCYP3A4
SCHEMBL13034120 0.78 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1MAPTTSHRKMT2A
SCHEMBL13034128 0.78 HSD17B10 (0.61) ALDH1A1KMT2AMEN1HSD17B10
Hydrochloric Acid SCHEMBL4079309 0.78 TAAR1 (0.44) ALDH1A1MAPTKMT2AMEN1THRB
SCHEMBL13034132 0.77 ADRB2 (0.57) SMN1; SMN2ALDH1A1MAPTTSHRKMT2A
SCHEMBL11366139 0.77 HTR6 (0.46) HPGDPOLBHSD17B10
SCHEMBL25140472 0.74 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MAPTCYP3A4KDM4E
SCHEMBL1030014 0.73 IDO1 (0.56) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL10730178 0.73 CYP3A4 (0.50) SMN1; SMN2ALDH1A1MAPTTSHRKMT2A
SCHEMBL20435047 0.73 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116911-A1 ANTI-FRα ANTIBODY, AND ANTIBODY-DRUG CONJUGATE AND USE THEREOF 百奥泰生物制药股份有限公司 2023-06-29 — — WO disclosed
WO-2023061457-A1 ANTIBODY-DRUG CONJUGATE AND APPLICATION THEREOF 百奥泰生物制药股份有限公司 2023-04-20 — — WO disclosed
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