SCHEMBL24611544

SCHEMBL24611544

C=C/C=C\C=C(/C)Nc1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SIGMAR1 Q99720 2/20 0.42
▸ EPHX1 P07099 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ ITGA5 P08648 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ ALOX12 P18054 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL24653597 0.88 HPGD (0.53) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL21431577 0.80 KMT2A (0.51) HPGDALDH1A1NPC1RAB9AEPHX1
SCHEMBL19412850 0.77 MAPT (0.49) HPGDALDH1A1NPC1RAB9AEPHX1
SCHEMBL22787322 0.76 HPGD (0.61) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL21290344 0.76 NPC1 (0.48) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL21574896 0.74 CDC14B (0.35) HPGDALDH1A1NPC1RAB9APOLB
SCHEMBL22646247 0.73 RECQL (0.44) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL14017499 0.72 TGM2 (0.49) HPGDNPC1RAB9APOLBMAPT
SCHEMBL18757919 0.72 NPC1 (0.48) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL2230128 0.72 HPGD (0.52) HPGDALDH1A1NPC1RAB9ASIGMAR1

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-3347355-B1 HETEROTRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS ICAHN SCHOOL MED MOUNT SINAI (US) 2022-07-13 — — EP disclosed
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