SCHEMBL10698974

SCHEMBL10698974

COCCN1C(=O)C(C)(C)c2cc3c(cc21)NC(c1ccc(O)cc1)N3

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
OPRM1 P35372 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.34
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
AR P10275 1/20 0.33
IDE P14735 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL10700273 0.89 TNKS2 (0.43) KMT2ALMNAGAAMAPTTDP1
SCHEMBL10698037 0.88 ALDH1A1 (0.38) LMNASMN1; SMN2MAPTRECQLTDP1
SCHEMBL10698519 0.86 CNR1 (0.41) KMT2ALMNAOPRM1GAAMEN1
SCHEMBL10698241 0.83 ADORA2B (0.34) KMT2ATSHRLMNASMN1; SMN2GAA
SCHEMBL10699950 0.83 ADORA2B (0.33) LMNASMN1; SMN2MAPTRECQLTDP1
SCHEMBL10698284 0.81 MEN1 (0.39) KMT2ATSHRLMNASMN1; SMN2GAA
SCHEMBL10698470 0.81 LMNA (0.32) LMNASMN1; SMN2MAPTRECQLTDP1
SCHEMBL10700232 0.80 TNKS2 (0.43) KMT2ATSHRGAAMAPTTDP1
SCHEMBL10700914 0.79 HPGD (0.38) KMT2ATSHRLMNASMN1; SMN2GAA
SCHEMBL10697413 0.78 BMPR1B (0.39) KMT2ATSHRLMNASMN1; SMN2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed