SCHEMBL9719848

SCHEMBL9719848

Clc1cc(SCc2ccccn2)cc(Cl)c1NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
FABP1 P07148 1/20 0.43
FABP6 P51161 1/20 0.43
DAO P14920 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
METAP2 P50579 1/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
GCK P35557 1/20 0.38
CXCR4 P61073 1/20 0.38
GNRHR P30968 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL9719871 0.78 DAO (0.41) MAPTALDH1A1DAONPC1RAB9A
SCHEMBL9719840 0.76 CYP1A2 (0.48) MAPTALDH1A1DAONPC1RAB9A
SCHEMBL11177471 0.75 GRM5 (0.50) MAPTALDH1A1DAONPC1RAB9A
SCHEMBL29405082 0.72 NPC1 (0.59) MAPTALDH1A1DAONPC1RAB9A
SCHEMBL432670 0.72 NPC1 (0.59) MAPTALDH1A1DAONPC1RAB9A
SCHEMBL4208247 0.71 NPC1 (0.47) MAPTALDH1A1DAONPC1RAB9A
SCHEMBL11512770 0.70 KMT2A (0.47) MAPTSMN1; SMN2KDM4EPKMPOLB
SCHEMBL11163593 0.70 NPC1 (0.58) MAPTDAONPC1RAB9ASMN1; SMN2
SCHEMBL29434794 0.70 MAOA (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2MAOA
Hydrochloric Acid SCHEMBL11174365 0.68 NPC1 (0.57) MAPTDAONPC1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5157039-A Lipoxygenase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-10-20 US disclosed
US-5109009-A QUINOLINE AND PYRIDINE COMPOUNDS AND INHIBITION OF 5-LIPOXYGENASES THEREWITH LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-04-28 US disclosed
US-4826987-A Pyridyl and quinoline derivatives LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1989-05-02 US disclosed