SCHEMBL10738423

SCHEMBL10738423

O=c1ncc(Cl)cn1CSc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL10742628 0.90 F2 (0.38) ALDH1A1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL10745802 0.88 DAO (0.35) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL10737830 0.86 KMT2A (0.41) ALDH1A1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL10737230 0.85 IDO1 (0.44) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL10742281 0.79 GRIN2B (0.37) ALDH1A1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL10738569 0.74 KMT2A (0.51) ALDH1A1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL10735453 0.74 HPGD (0.32) ALDH1A1HSD17B10KMT2AKDM4EHPGD
SCHEMBL10737268 0.73 RAB9A (0.42) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL10735574 0.73 POLB (0.52) ALDH1A1MAPTHSD17B10RAB9AKMT2A
SCHEMBL10742303 0.72 HPGD (0.32) HSD17B10KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4705791-A ANTICARCINOGENIC AGENTS, IMMUNOLOGY, SKIN DISORDERS NYEGAARD & CO. A/S (NO) 1987-11-10 — — US disclosed
US-4596870-A Substituted pyrimidin-2-ones and the salts thereof NYEGAARD & CO. A.S. (NO) 1986-06-24 — — US disclosed
EP-0056319-B1 SUBSTITUTED PYRIMIDIN-2-ONES AND THE SALTS THEREOF NYEGAARD & CO. A/S (NO) 1986-04-16 — — EP disclosed
EP-0056319-A2 Substituted pyrimidin-2-ones and the salts thereof NYEGAARD & CO. A/S (NO) 1982-07-21 — — EP disclosed
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