SCHEMBL8303965

SCHEMBL8303965

CC(=O)n1nc(CBr)c2cccc(F)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NOD2 Q9HC29 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
ADORA2A P29274 2/20 0.33
PCSK9 Q8NBP7 2/20 0.33
CHRM1 P11229 1/20 0.33
NOTUM Q6P988 1/20 0.33
ESR1 P03372 1/20 0.32
SSTR4 P31391 2/20 0.32
RARG P13631 1/20 0.32
RORC P51449 1/20 0.32
ADORA1 P30542 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
PDGFRA P16234 1/20 0.31
CDK5 Q00535 1/20 0.31
TYRO3 Q06418 1/20 0.31

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
SCHEMBL8299792 0.83 PDGFRA (0.34) PDGFRACDK5TYRO3
SCHEMBL8303129 0.83 NOTUM (0.40) ELANECNR1NOTUMESR1RARG
SCHEMBL8215915 0.82 SCN9A (0.36) CHRM1SSTR4
SCHEMBL8304178 0.76 ELANE (0.54) ELANENPC1RAB9APDGFRACDK5
SCHEMBL8631068 0.71 PDGFRA (0.46) ELANEPDGFRACDK5TYRO3
SCHEMBL10112143 0.67 PDGFRA (0.65) ELANENPC1RAB9ACNR1CNR2
SCHEMBL8300318 0.66 PDGFRA (0.46) ELANEPDGFRACDK5TYRO3
SCHEMBL3354784 0.65 ELANE (0.42) ELANERORC
SCHEMBL16149702 0.63 SCN9A (0.37) ELANECHRM1SSTR4RARGRORC
SCHEMBL13106354 0.63 ALDH1A1 (0.41) CNR1CNR2SSTR4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0701555-B1 INDAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 1999-08-04 EP disclosed
US-5780475-A Antipsychotic indazole derivatives MERCK, SHARP & DOHME LIMITED (GB) 1998-07-14 US disclosed
EP-0689539-B1 ANTIPSYCHOTIC INDAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 1997-12-03 EP disclosed
US-5665732-A Indazole derivatives MERCK, SHARP & DOHME LTD. (GB) 1997-09-09 US disclosed
WO-1994021630-A1 ANTIPSYCHOTIC INDAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-09-29 WO disclosed