SCHEMBL9495288

SCHEMBL9495288

O=C(O)C1=CC=CN(Nc2cccc(F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 3/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
GFER P55789 1/20 0.36
KCNK3 O14649 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL9499230 0.88 TSHR (0.39) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL9495344 0.84 TP53 (0.33) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL9494589 0.84 NPC1 (0.45) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL9494500 0.82 KMT2A (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9495354 0.81 HTT (0.44) MEN1KMT2AHTTALDH1A1TSHR
SCHEMBL9497253 0.81 MAPT (0.46) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL9498587 0.77 CBS (0.41) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL27804210 0.74 NOTUM (0.42) HPGDMEN1KMT2AALDH1A1POLB
SCHEMBL5254243 0.73 MAPT (0.33) NPC1RAB9AALDH1A1POLBTDP1
SCHEMBL9499116 0.72 MAPT (0.32) MEN1KMT2APOLBSMN1; SMN2

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-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed