SCHEMBL6757973

SCHEMBL6757973

NCCCCCSc1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
RAB9A P51151 2/20 0.56
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 6/20 0.52
CYP2E1 P05181 6/20 0.52
CYP3A4 P08684 6/20 0.52
CYP2C8 P10632 6/20 0.52
CYP2D6 P10635 6/20 0.52
CYP2C9 P11712 6/20 0.52
CYP2B6 P20813 6/20 0.52
CYP2C19 P33261 6/20 0.52
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
BACE1 P56817 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
MAPT P10636 5/20 0.46
LMNA P02545 4/20 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
SCHEMBL14304934 0.93 RAB9A (0.63) HSD17B10RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL6757965 0.89 RAB9A (0.45) HSD17B10RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL6755646 0.84 MAPT (0.65) RAB9AHPGDSMN1; SMN2CYP1A2CYP2E1
SCHEMBL6759921 0.80 BCHE (0.71) RAB9AHPGDSMN1; SMN2MAPTLMNA
SCHEMBL6759851 0.80 BCHE (0.71) RAB9AHPGDSMN1; SMN2MAPTLMNA
SCHEMBL16198322 0.80 BCHE (0.51) HSD17B10RAB9AHPGDSMN1; SMN2LMNA
SCHEMBL19344591 0.79 CYP1A2 (0.53) HSD17B10RAB9ACYP1A2CYP2E1CYP3A4
SCHEMBL9877888 0.78 HSD17B10 (0.48) HSD17B10RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL6604233 0.78 MAPT (0.54) HSD17B10RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL10513585 0.77 HPGD (0.47) HSD17B10RAB9AHPGDSMN1; SMN2CYP1A2

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
US-6787561-B1 HYPERLIPIDEMIA, ARTERIOSCLEROSIS; ORAL ADMINISTRATION; SUPPRESSING THE FORMING OF MACROPHAGES FUJI PHOTO FILM CO., LTD. (JP) 2004-09-07 US disclosed
EP-1197493-A1 BENZIMIDAZOLE COMPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 2002-04-17 EP disclosed