SCHEMBL29944222

SCHEMBL29944222

Nc1nnc(Cl)cc1N1CCN(c2ccc(C(=O)O)s2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.36
▸ GAA P10253 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ DAO P14920 2/20 0.36
▸ HDAC3 O15379 3/20 0.35
▸ HDAC2 Q92769 3/20 0.35
▸ SMARCA2 P51531 5/20 0.34
▸ SMARCA4 P51532 5/20 0.34
▸ PBRM1 Q86U86 5/20 0.34
▸ NR1I2 O75469 2/20 0.34
▸ RORC P51449 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NCF1 P14598 1/20 0.32
▸ PTGER1 P34995 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL23630386 1.00 KDM4E (0.36) KDM4EGAAALDH1A1SMN1; SMN2POLB
SCHEMBL23630384 0.84 PRMT1 (0.39) KDM4EGAAALDH1A1HDAC3SMARCA2
SCHEMBL29944247 0.84 PRMT1 (0.39) KDM4EGAAALDH1A1HDAC3SMARCA2
SCHEMBL29944092 0.73 ALDH1A1 (0.55) KDM4EGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL23630485 0.73 ALDH1A1 (0.55) KDM4EGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL23037194 0.73 SLC6A9 (0.39) SMARCA2SMARCA4PBRM1NR1I2
SCHEMBL31179812 0.73 SLC6A9 (0.39) SMARCA2SMARCA4PBRM1NR1I2
SCHEMBL25043720 0.72 NCF1 (0.50) KDM4EALDH1A1SMN1; SMN2SMARCA2SMARCA4
SCHEMBL23630324 0.72 SMO (0.45) KDM4EGAAALDH1A1POLBNPC1
SCHEMBL23630521 0.72 PRKCQ (0.40) KDM4EGAAALDH1A1SMARCA2SMARCA4

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
EP-4087658-A1 SMARCA2-VHL DEGRADERS Amgen Inc. (US) 2022-11-16 — — EP disclosed
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