SCHEMBL411997

SCHEMBL411997

Cc1cccc(-c2nc3cc(C(=O)NCCc4cccs4)ccn3c2-c2ccnc(N)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
IGF1R P08069 1/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PSMD14 O00487 1/20 0.40
STAMBP O95630 1/20 0.40
COPS5 Q92905 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL412286 0.89 NPC1 (0.43) CYP1A2IGF1RNPC1RAB9ASMN1; SMN2
SCHEMBL413247 0.87 IGF1R (0.47) IGF1R
SCHEMBL409975 0.87 IGF1R (0.46) IGF1R
SCHEMBL415377 0.86 IGF1R (0.43) IGF1R
SCHEMBL408611 0.85 IGF1R (0.47) IGF1R
SCHEMBL411741 0.85 TGFBR1 (0.47) IGF1RTP53
SCHEMBL27615247 0.84 IGF1R (0.43) IGF1R
SCHEMBL412686 0.83 IGF1R (0.49) IGF1R
SCHEMBL413069 0.81 IGF1R (0.47) IGF1R
SCHEMBL414374 0.81 IGF1R (0.46) IGF1R

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-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed