SCHEMBL5445822

SCHEMBL5445822

Cc1ccc(C(=O)NC(=S)Nc2ccccc2F)o1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
ALDH1A1 P00352 8/20 0.59
KDM4E B2RXH2 4/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALOX12 P18054 1/20 0.56
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 3/20 0.53
POLB P06746 2/20 0.53
PKM P14618 1/20 0.53
MAPK1 P28482 2/20 0.53
HPGD P15428 3/20 0.52
HTT P42858 1/20 0.50

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
SCHEMBL5447850 0.84 ALDH1A1 (0.65) RAB9ASMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL5452766 0.78 POLB (0.74) RAB9ASMN1; SMN2ALDH1A1ALOX12MEN1
SCHEMBL11364578 0.76 RAB9A (0.72) RAB9ASMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL5450048 0.75 RAB9A (0.62) RAB9ASMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL5445578 0.75 ALDH1A1 (0.58) RAB9ASMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL5443490 0.75 ALDH1A1 (0.57) RAB9ASMN1; SMN2ALDH1A1KDM4EALOX12
SCHEMBL2343630 0.72 ALDH1A1 (0.70) RAB9ASMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL29661214 0.72 ALDH1A1 (0.70) RAB9ASMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL5450396 0.71 ALDH1A1 (0.72) RAB9ASMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL29661194 0.71 ALDH1A1 (0.63) RAB9ASMN1; SMN2ALDH1A1KDM4ENPSR1

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-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed