SCHEMBL7992083

SCHEMBL7992083

Cc1ccc(-c2[nH]c(-c3cccnc3)nc2C(=O)Nc2nccs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
KDM4E B2RXH2 2/20 0.43
KIT P10721 1/20 0.42
ESR1 P03372 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL7995070 0.88 MEN1 (0.54) RAB9AMAPK1POLBTSHRNPC1
Hydrochloric Acid SCHEMBL7977943 0.87 MEN1 (0.53) RAB9AMAPK1POLBTSHRNPC1
Hydrochloric Acid SCHEMBL7978210 0.87 RAB9A (0.53) RAB9AMAPK1POLBTSHRNPC1
SCHEMBL7977513 0.86 MEN1 (0.54) RAB9AMAPK1POLBTSHRNPC1
SCHEMBL7977950 0.85 MAPT (0.53) RAB9AMAPK1POLBTSHRNPC1
SCHEMBL7977884 0.84 SIRT2 (0.56) RAB9AMAPK1POLBTSHRNPC1
SCHEMBL7989403 0.83 AURKA (0.51) RAB9AMAPK1POLBTSHRNPC1
SCHEMBL7989231 0.83 RAB9A (0.47) RAB9AMAPK1POLBTSHRNPC1
SCHEMBL7978582 0.82 RAB9A (0.52) RAB9AMAPK1POLBTSHRNPC1
SCHEMBL7988684 0.82 RAB9A (0.59) RAB9AMAPK1POLBTSHRNPC1

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed