SCHEMBL7864583

SCHEMBL7864583

c1ccc2[nH]c3ncnc-3nc2c1.c1conn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.44
▸ RAB9A P51151 8/20 0.44
▸ NPC1 O15118 7/20 0.44
▸ ALDH1A1 P00352 7/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ PKM P14618 4/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ HPGD P15428 5/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ METAP2 P50579 3/20 0.42
▸ METAP1 P53582 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ PKN1 Q16512 1/20 0.40
▸ PKN2 Q16513 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ USP2 O75604 2/20 0.39

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
SCHEMBL2466325 0.84 RAB9A (0.61) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
Cyanide SCHEMBL10887131 0.81 RAB9A (0.57) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
Carbazole SCHEMBL11246462 0.77 KDM4E (0.52) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
Phenazine SCHEMBL27734838 0.70 MAPT (0.50) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
Benzimidazole SCHEMBL11808469 0.69 KDM4E (0.38) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
Quinoxaline SCHEMBL27493680 0.69 ALDH1A1 (0.38) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
Carbazole SCHEMBL28445901 0.68 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2HSD17B10NPSR1
Carbazole SCHEMBL2732599 0.68 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2HSD17B10NPSR1
SCHEMBL30174323 0.66 NPC1 (0.64) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
Quinoline SCHEMBL19995127 0.66 ALDH1A1 (0.63) KDM4ERAB9ANPC1ALDH1A1SMN1; 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-6197968-B1 STORAGE STABILITY; COLORLESS AFTER SOLUTION TREATMENT FUJI PHOTO FILM CO., LTD. (JP) 2001-03-06 — — US claimed
Send feedback