SCHEMBL11525006

SCHEMBL11525006

Clc1ccc2cc(-c3c[c]ccc3)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
CYP19A1 P11511 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 3/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.40
DAO P14920 1/20 0.40

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
SCHEMBL11316812 0.88 MEN1 (0.67) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL11524627 0.82 ITK (0.45) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL3132113 0.81 NPC1 (0.65) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL10413632 0.80 KMT2A (0.74) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL27954031 0.75 KMT2A (0.66) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL11330987 0.73 KDM4E (0.58) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL1605273 0.73 CYP19A1 (0.68) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL695284 0.71 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL11317343 0.71 KDM4E (0.52) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL27944100 0.71 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ANPC1RAB9A

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-4174321-A POLYMERIC MOLDING MATERIALS EASTMAN KODAK COMPANY (US) 1979-11-13 US disclosed
US-4127501-A BENZOXAZOLE, BENZOTHIAZOLE, BENZIMIDAZOLE, BENZOTRIAZOLE OR INDOLE DERIVATIVES EASTMAN KODAK COMPANY (US) 1978-11-28 US disclosed