SCHEMBL5398396

SCHEMBL5398396

Oc1ccccc1-c1ccnnn1.Oc1ccccc1-n1nnc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.68
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
KCNN4 O15554 1/20 0.37
POLB P06746 2/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 2/20 0.35
MGAM O43451 1/20 0.34
AMY1A P0DUB6 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
APAF1 O14727 2/20 0.34
NPC1 O15118 2/20 0.34
TDP2 O95551 2/20 0.34

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
SCHEMBL80393 0.82 KCNMA1 (1.00) KCNMA1RAB9ASMN1; SMN2POLBMAPK1
SCHEMBL45025 0.79 IDO1 (0.43) RAB9ASMN1; SMN2MAPK1KMT2AMAPT
SCHEMBL29501476 0.79 IDO1 (0.43) RAB9ASMN1; SMN2MAPK1KMT2AMAPT
Hydrochloric Acid SCHEMBL21412263 0.78 IDO1 (0.42) RAB9ASMN1; SMN2MAPK1KMT2AMAPT
SCHEMBL28454726 0.78 IDO1 (0.42) RAB9ASMN1; SMN2MAPK1KMT2AMAPT
Biphenyl SCHEMBL17239365 0.73 NR1I2 (0.49) RAB9ASMN1; SMN2POLBKMT2AMGAM
Benzotriazole SCHEMBL9942721 0.73 IDO1 (0.36) RAB9ASMN1; SMN2MAPK1KMT2AMAPT
SCHEMBL3969778 0.72 KCNMA1 (0.78) KCNMA1RAB9ASMN1; SMN2POLBMAPK1
SCHEMBL30438702 0.72 KCNMA1 (0.63) KCNMA1KCNN4ALDH1A1HPGDDHODH
SCHEMBL11880576 0.68 KCNMA1 (0.71) KCNMA1RAB9ASMN1; SMN2POLBMAPK1

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
WO-2007127052-A2 BIREFRINGENT OPTICAL ELEMENTS HAVING REVERSE DISPERSION EASTMAN KODAK COMPANY (US) 2007-11-08 WO disclosed