SCHEMBL10737675

SCHEMBL10737675

CC1=CCNC(c2ccccc2)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TNKS2 Q9H2K2 2/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL10815805 0.69 ALDH1A1 (0.39) ALDH1A1HPGDRXFP1MEN1KMT2A
SCHEMBL1435756 0.65 SLC18A3 (0.46) ALDH1A1MEN1KMT2ANPC1TNKS2
SCHEMBL9580047 0.64 PRCP (0.36) MEN1KMT2ANPC1TNKS2SLC6A2
SCHEMBL10560187 0.64 TNKS2 (0.44) ALDH1A1HPGDMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL11019819 0.63 GAA (0.45) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL17433168 0.62 MEN1 (0.41) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL6082762 0.61 MEN1 (0.47) MEN1KMT2ANPC1TNKS2CYP3A4
SCHEMBL30674462 0.61 MEN1 (0.47) MEN1KMT2ANPC1TNKS2CYP3A4
SCHEMBL3745191 0.61 SLC18A3 (0.43) MEN1KMT2ANPC1SLC6A2ADRA1A
SCHEMBL19270305 0.61 SMN1; SMN2 (0.40) ALDH1A1HPGDMEN1KMT2ANPC1

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
US-4695613-A EPOXY RESIN, CYCLIC AMIDINE NEUTRALIZED OLIGOESTER HUELS AKTIENGESELLSCHAFT (DE) 1987-09-22 — — US claimed
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