SCHEMBL6925018

SCHEMBL6925018

Cc1cc(C)nc(N=C(N)NCCc2ccccc2Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ CRHBP P24387 4/20 0.50
▸ CRHR2 Q13324 4/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RAB9A P51151 3/20 0.48
▸ POLB P06746 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ NR4A1 P22736 1/20 0.44
▸ P2RX7 Q99572 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ HSD17B10 Q99714 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
SCHEMBL6829068 0.80 RAB9A (0.49) MEN1KMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL6925014 0.73 TAAR1 (0.44) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL10501638 0.73 MAPK1 (0.58) MEN1KMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL6828232 0.70 MEN1 (0.47) MEN1KMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL10437265 0.70 CAMK2D (0.53) MEN1KMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL10310269 0.69 TAAR1 (0.55) SMN1; SMN2RAB9AP2RX7TAAR1LMNA
SCHEMBL4110628 0.68 RAB9A (0.58) MEN1KMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL10498926 0.68 CRHBP (0.83) MEN1KMT2ACRHBPCRHR2SMN1; SMN2
Hydrochloric Acid SCHEMBL1623303 0.68 TAAR1 (0.53) SMN1; SMN2RAB9AP2RX7TAAR1LMNA
SCHEMBL1180411 0.67 HIF1A (0.67) SMN1; SMN2MAPTRAB9AP2RX7TAAR1

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-2004037166-A2 THERAPEUTIC GUANIDINES ISIS PHARMACEUTICALS, INC. (US) 2004-05-06 — — WO disclosed
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