SCHEMBL7617545

SCHEMBL7617545

Clc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KMT2A Q03164 4/20 0.44
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ PRKCI P41743 12/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL7617660 0.82 RAB9A (0.51) KDM4ENPC1RAB9ANFKB1NFKB2
SCHEMBL5815509 0.82 PRKCI (0.45) KDM4ESMN1; SMN2KMT2AMAPTPRKCI
SCHEMBL7609437 0.79 KDM4E (0.74) KDM4ENPC1RAB9ANFKB1NFKB2
SCHEMBL7613253 0.78 PRKCI (0.62) PRKCI
SCHEMBL8205517 0.77 PRKCI (0.48) KDM4ESMN1; SMN2KMT2AMAPTPRKCI
SCHEMBL7512863 0.77 PTGS2 (0.44) KDM4EPRKCI
SCHEMBL5781203 0.75 PRKCI (0.55) KDM4ESMN1; SMN2KMT2AMAPTPRKCI
SCHEMBL5780486 0.75 PDE5A (0.59) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5115392 0.74 NPC1 (0.46) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5130348 0.74 HPGD (0.46) KDM4ENPC1RAB9ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 — — US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 — — US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 — — US disclosed
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