SCHEMBL10448603

SCHEMBL10448603

O=C1CNC(c2ccccc2Cl)O1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
SLC6A3 Q01959 4/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
SLC6A2 P23975 4/20 0.37
LDHA P00338 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HTR6 P50406 3/20 0.36
PBRM1 Q86U86 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL10448405 0.79 DDB1 (0.41) ALDH1A1KMT2AHPGDTNKS2HTR2A
SCHEMBL135940 0.74 CA2 (0.40) SMN1; SMN2ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL6253800 0.71 MEN1 (0.32) KMT2A
SCHEMBL5855954 0.67 SLC6A2 (0.40) SLC6A3ALDH1A1KDM4EHSD17B10SLC6A2
SCHEMBL10242244 0.67 SLC6A3 (0.46) TP53RECQLSMN1; SMN2SLC6A3ALDH1A1
SCHEMBL16064832 0.67 SLC6A3 (0.46) TP53RECQLSMN1; SMN2SLC6A3ALDH1A1
SCHEMBL6414970 0.67 LDHA (0.43) TP53RECQLSMN1; SMN2SLC6A3ALDH1A1
SCHEMBL14580255 0.66 TP53 (0.65) TP53RECQLSMN1; SMN2SLC6A3ALDH1A1
SCHEMBL28782592 0.65 SLC6A3 (0.47) TP53RECQLSMN1; SMN2SLC6A3ALDH1A1
SCHEMBL28542554 0.64 TP53 (0.41) TP53RECQLSMN1; SMN2SLC6A3ALDH1A1

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
EP-0367233-A2 Process for the preparation of 2-(2-thienyl)-ethylamine and derivatives thereof OCCIDENTAL CHEMICAL CORPORATION (US) 1990-05-09 EP disclosed
US-4874876-A ACYLATING THIOPHENE, REDUCING, HYDROLYZING OCCIDENTAL CHEMICAL CORPORATION (US) 1989-10-17 US disclosed