SCHEMBL6532295

SCHEMBL6532295

O=C(Nc1ccc(-c2ccccc2)cc1)c1cc[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.53
PTPN11 Q06124 1/20 0.53
KMT2A Q03164 1/20 0.51
DHODH Q02127 4/20 0.50
DEGS1 O15121 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
STAT3 P40763 1/20 0.49
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
SMO Q99835 2/20 0.48
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47

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
SCHEMBL19748 0.90 KMT2A (0.61) PTPN1KMT2ASMN1; SMN2POLBNPC1
SCHEMBL6532409 0.87 MGLL (0.55) KMT2APOLB
SCHEMBL28118358 0.83 KMT2A (0.54) KMT2ASMN1; SMN2POLBNPC1ALDH1A1
SCHEMBL23246023 0.82 NPC1 (0.53) KMT2ASMN1; SMN2NPC1ALDH1A1HTT
SCHEMBL18027798 0.81 RAB9A (0.54) SMN1; SMN2POLBNPC1ALDH1A1HTT
SCHEMBL16692723 0.81 KMT2A (0.44) KMT2ASMN1; SMN2POLBNPC1MITF
SCHEMBL168618 0.81 MEN1 (0.63) PTPN1KMT2ASMN1; SMN2NPC1MITF
SCHEMBL11041868 0.79 KDM4E (0.55) KMT2AALDH1A1HTT
SCHEMBL23246003 0.78 GAA (0.63) KMT2ASMN1; SMN2NPC1RAB9A
Biphenyl SCHEMBL27870431 0.78 LMNA (0.43) SMN1; SMN2ALDH1A1

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
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO disclosed