SCHEMBL3387684

SCHEMBL3387684

O=C(NCc1ccccc1)c1[c]cc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
NR1H4 Q96RI1 1/20 0.50
TSHR P16473 1/20 0.50
MMP13 P45452 1/20 0.48
KMT2A Q03164 2/20 0.47
MAOB P27338 1/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL10387186 0.77 CYP1A2 (0.52) HPGDALDH1A1TSHRMMP13KMT2A
SCHEMBL7583313 0.76 HPGD (0.55) HPGDSMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL10389701 0.76 HPGD (0.58) HPGDSMN1; SMN2ALDH1A1TSHRMMP13
SCHEMBL14862482 0.76 TSHR (0.49) HPGDSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL7574279 0.76 HPGD (0.51) HPGDSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL1900364 0.76 KMT2A (0.54) HPGDSMN1; SMN2TP53TSHRMMP13
SCHEMBL3899987 0.75 IDO1 (0.42) HPGDALDH1A1TSHRKMT2A
SCHEMBL3392211 0.73 PLAU (0.47) SMN1; SMN2ALDH1A1HDAC2HDAC3HDAC1
SCHEMBL14894197 0.73 NR1H4 (0.85) HPGDALDH1A1TP53NR1H4TSHR
SCHEMBL11902028 0.72 NR1H4 (0.79) HPGDALDH1A1NR1H4HDAC2HDAC8

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-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP claimed
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed